5KQG
Co-crystal structure of LMW-PTP in complex with 2-(benzothiazol-2-ylamino)-2-oxo-1-phenylethanesulfonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.801, 53.963, 97.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.805 - 1.500 |
| R-factor | 0.1686 |
| Rwork | 0.167 |
| R-free | 0.19410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5pnt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.175 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 28910 |
| <I/σ(I)> | 27.9 |
| Completeness [%] | 95.5 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25-30% PEGME 5000, 100 mM Bis-Tris, pH 6.0-6.5 |
